polishing
This commit is contained in:
Martin Diehl
parent
e0a6b79b14
commit
fdd3bd1262
322
src/material.f90
322
src/material.f90
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@ -377,20 +377,20 @@ subroutine material_init()
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write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
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#include "compilation_info.f90"
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call material_parsePhase()
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if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Phase parsed'; flush(6)
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call material_parseMicrostructure()
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if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Microstructure parsed'; flush(6)
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call material_parseCrystallite()
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if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Crystallite parsed'; flush(6)
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call material_parseHomogenization()
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if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Homogenization parsed'; flush(6)
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call material_parseTexture()
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if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Texture parsed'; flush(6)
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call material_parsePhase()
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if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Phase parsed'; flush(6)
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call material_parseMicrostructure()
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if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Microstructure parsed'; flush(6)
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call material_parseCrystallite()
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if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Crystallite parsed'; flush(6)
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call material_parseHomogenization()
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if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Homogenization parsed'; flush(6)
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call material_parseTexture()
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if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Texture parsed'; flush(6)
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allocate(plasticState (material_Nphase))
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allocate(sourceState (material_Nphase))
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@ -505,16 +505,13 @@ end subroutine material_init
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!--------------------------------------------------------------------------------------------------
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!> @brief parses the homogenization part in the material configuration file
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!> @brief parses the homogenization part from the material configuration
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!--------------------------------------------------------------------------------------------------
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subroutine material_parseHomogenization
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use config_material, only : &
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homogenizationConfig
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use IO, only: &
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IO_error, &
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IO_stringValue, &
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IO_intValue, &
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IO_floatValue
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IO_error
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use mesh, only: &
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mesh_element
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@ -546,97 +543,107 @@ subroutine material_parseHomogenization
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forall (h = 1_pInt:material_Nhomogenization) homogenization_active(h) = any(mesh_element(3,:) == h)
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do h=1_pInt, material_Nhomogenization
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homogenization_Noutput(h) = homogenizationConfig(h)%countKeys('(output)')
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tag = homogenizationConfig(h)%getString('mech')
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select case (trim(tag))
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case(HOMOGENIZATION_NONE_label)
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homogenization_type(h) = HOMOGENIZATION_NONE_ID
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homogenization_Ngrains(h) = 1_pInt
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case(HOMOGENIZATION_ISOSTRAIN_label)
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homogenization_type(h) = HOMOGENIZATION_ISOSTRAIN_ID
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homogenization_Ngrains(h) = homogenizationConfig(h)%getInt('nconstituents')
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case(HOMOGENIZATION_RGC_label)
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homogenization_type(h) = HOMOGENIZATION_RGC_ID
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homogenization_Ngrains(h) = homogenizationConfig(h)%getInt('nconstituents')
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case default
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call IO_error(500_pInt,ext_msg=trim(tag))
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end select
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homogenization_typeInstance(h) = count(homogenization_type==homogenization_type(h))
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select case (trim(tag))
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case(HOMOGENIZATION_NONE_label)
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homogenization_type(h) = HOMOGENIZATION_NONE_ID
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homogenization_Ngrains(h) = 1_pInt
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case(HOMOGENIZATION_ISOSTRAIN_label)
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homogenization_type(h) = HOMOGENIZATION_ISOSTRAIN_ID
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homogenization_Ngrains(h) = homogenizationConfig(h)%getInt('nconstituents')
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case(HOMOGENIZATION_RGC_label)
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homogenization_type(h) = HOMOGENIZATION_RGC_ID
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homogenization_Ngrains(h) = homogenizationConfig(h)%getInt('nconstituents')
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case default
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call IO_error(500_pInt,ext_msg=trim(tag))
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end select
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homogenization_typeInstance(h) = &
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count(homogenization_type==homogenization_type(h)) ! count instances
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if (homogenizationConfig(h)%keyExists('thermal')) then
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tag = homogenizationConfig(h)%getString('thermal')
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thermal_initialT(h) = homogenizationConfig(h)%getFloat('t0')
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! case ('t0')
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! thermal_initialT(section) = IO_floatValue(line,chunkPos,2_pInt)
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select case (trim(tag))
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case(THERMAL_isothermal_label)
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thermal_type(h) = THERMAL_isothermal_ID
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case(THERMAL_adiabatic_label)
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thermal_type(h) = THERMAL_adiabatic_ID
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case(THERMAL_conduction_label)
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thermal_type(h) = THERMAL_conduction_ID
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case default
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call IO_error(500_pInt,ext_msg=trim(tag))
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end select
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endif
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tag = homogenizationConfig(h)%getString('thermal')
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select case (trim(tag))
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case(THERMAL_isothermal_label)
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thermal_type(h) = THERMAL_isothermal_ID
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case(THERMAL_adiabatic_label)
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thermal_type(h) = THERMAL_adiabatic_ID
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case(THERMAL_conduction_label)
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thermal_type(h) = THERMAL_conduction_ID
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case default
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call IO_error(500_pInt,ext_msg=trim(tag))
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end select
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endif
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if (homogenizationConfig(h)%keyExists('damage')) then
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tag = homogenizationConfig(h)%getString('damage')
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! case ('initialdamage')
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! damage_initialPhi(section) = IO_floatValue(line,chunkPos,2_pInt)
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select case (trim(tag))
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case(DAMAGE_NONE_label)
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damage_type(h) = DAMAGE_none_ID
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case(DAMAGE_LOCAL_label)
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damage_type(h) = DAMAGE_local_ID
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case(DAMAGE_NONLOCAL_label)
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damage_type(h) = DAMAGE_nonlocal_ID
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case default
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call IO_error(500_pInt,ext_msg=trim(tag))
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end select
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endif
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if (homogenizationConfig(h)%keyExists('vacancyflux')) then
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tag = homogenizationConfig(h)%getString('vacancyflux')
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! case ('cv0')
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! vacancyflux_initialCv(section) = IO_floatValue(line,chunkPos,2_pInt)
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select case (trim(tag))
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case(VACANCYFLUX_isoconc_label)
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vacancyflux_type(h) = VACANCYFLUX_isoconc_ID
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case(VACANCYFLUX_isochempot_label)
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vacancyflux_type(h) = VACANCYFLUX_isochempot_ID
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case(VACANCYFLUX_cahnhilliard_label)
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vacancyflux_type(h) = VACANCYFLUX_cahnhilliard_ID
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case default
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call IO_error(500_pInt,ext_msg=trim(tag))
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end select
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endif
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if (homogenizationConfig(h)%keyExists('porosity')) then
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tag = homogenizationConfig(h)%getString('porosity')
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select case (trim(tag))
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case(POROSITY_NONE_label)
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porosity_type(h) = POROSITY_none_ID
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case(POROSITY_phasefield_label)
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porosity_type(h) = POROSITY_phasefield_ID
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case default
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call IO_error(500_pInt,ext_msg=trim(tag))
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end select
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endif
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if (homogenizationConfig(h)%keyExists('hydrogenflux')) then
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tag = homogenizationConfig(h)%getString('hydrogenflux')
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! case ('ch0')
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! hydrogenflux_initialCh(section) = IO_floatValue(line,chunkPos,2_pInt)
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select case (trim(tag))
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case(HYDROGENFLUX_isoconc_label)
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hydrogenflux_type(h) = HYDROGENFLUX_isoconc_ID
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case(HYDROGENFLUX_cahnhilliard_label)
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hydrogenflux_type(h) = HYDROGENFLUX_cahnhilliard_ID
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case default
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call IO_error(500_pInt,ext_msg=trim(tag))
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end select
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damage_initialPhi(h) = homogenizationConfig(h)%getFloat('initialdamage')
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tag = homogenizationConfig(h)%getString('thermal')
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select case (trim(tag))
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case(DAMAGE_NONE_label)
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damage_type(h) = DAMAGE_none_ID
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case(DAMAGE_LOCAL_label)
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damage_type(h) = DAMAGE_local_ID
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case(DAMAGE_NONLOCAL_label)
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damage_type(h) = DAMAGE_nonlocal_ID
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case default
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call IO_error(500_pInt,ext_msg=trim(tag))
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end select
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endif
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if (homogenizationConfig(h)%keyExists('vacancyflux')) then
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vacancyflux_initialCv(h) = homogenizationConfig(h)%getFloat('cv0')
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tag = homogenizationConfig(h)%getString('vacancyflux')
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select case (trim(tag))
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case(VACANCYFLUX_isoconc_label)
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vacancyflux_type(h) = VACANCYFLUX_isoconc_ID
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case(VACANCYFLUX_isochempot_label)
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vacancyflux_type(h) = VACANCYFLUX_isochempot_ID
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case(VACANCYFLUX_cahnhilliard_label)
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vacancyflux_type(h) = VACANCYFLUX_cahnhilliard_ID
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case default
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call IO_error(500_pInt,ext_msg=trim(tag))
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end select
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endif
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if (homogenizationConfig(h)%keyExists('porosity')) then
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!ToDo?
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tag = homogenizationConfig(h)%getString('porosity')
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select case (trim(tag))
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case(POROSITY_NONE_label)
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porosity_type(h) = POROSITY_none_ID
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case(POROSITY_phasefield_label)
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porosity_type(h) = POROSITY_phasefield_ID
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case default
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call IO_error(500_pInt,ext_msg=trim(tag))
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end select
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endif
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if (homogenizationConfig(h)%keyExists('hydrogenflux')) then
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hydrogenflux_initialCh(h) = homogenizationConfig(h)%getFloat('ch0')
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tag = homogenizationConfig(h)%getString('hydrogenflux')
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select case (trim(tag))
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case(HYDROGENFLUX_isoconc_label)
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hydrogenflux_type(h) = HYDROGENFLUX_isoconc_ID
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case(HYDROGENFLUX_cahnhilliard_label)
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hydrogenflux_type(h) = HYDROGENFLUX_cahnhilliard_ID
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case default
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call IO_error(500_pInt,ext_msg=trim(tag))
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end select
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endif
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enddo
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do h=1_pInt, material_Nhomogenization
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@ -659,22 +666,22 @@ end subroutine material_parseHomogenization
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subroutine material_parseMicrostructure
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use prec, only: &
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dNeq
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use IO
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use IO, only: &
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IO_floatValue, &
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IO_intValue, &
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IO_stringValue, &
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IO_error
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use mesh, only: &
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mesh_element, &
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mesh_NcpElems
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implicit none
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character(len=256), dimension(:), allocatable :: &
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character(len=65536), dimension(:), allocatable :: &
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str
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integer(pInt), allocatable, dimension(:,:) :: chunkPoss
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integer(pInt) :: e, m, constituent, i
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integer(pInt) :: e, m, c, i
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character(len=65536) :: &
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tag,line
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line = '' ! to have it initialized
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m = 0_pInt
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tag
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allocate(microstructure_crystallite(material_Nmicrostructure), source=0_pInt)
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allocate(microstructure_Nconstituents(material_Nmicrostructure), source=0_pInt)
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@ -698,26 +705,24 @@ subroutine material_parseMicrostructure
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allocate(microstructure_fraction(microstructure_maxNconstituents,material_Nmicrostructure),source=0.0_pReal)
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do m=1_pInt, material_Nmicrostructure
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call microstructureConfig(m)%getRaws('(constituent)',str,chunkPoss)
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do constituent = 1_pInt, size(str)
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do i = 2_pInt,6_pInt,2_pInt
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tag = IO_stringValue(str(constituent),chunkPoss(:,constituent),i)
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call microstructureConfig(m)%getRaws('(constituent)',str,chunkPoss)
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do c = 1_pInt, size(str)
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do i = 2_pInt,6_pInt,2_pInt
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tag = IO_stringValue(str(c),chunkPoss(:,c),i)
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select case (tag)
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case('phase')
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microstructure_phase(constituent,m) = IO_intValue(str(constituent),chunkPoss(:,constituent),i+1_pInt)
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case('texture')
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microstructure_texture(constituent,m) = IO_intValue(str(constituent),chunkPoss(:,constituent),i+1_pInt)
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select case (tag)
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case('phase')
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microstructure_phase(c,m) = IO_intValue(str(c),chunkPoss(:,c),i+1_pInt)
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case('texture')
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microstructure_texture(c,m) = IO_intValue(str(c),chunkPoss(:,c),i+1_pInt)
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case('fraction')
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microstructure_fraction(c,m) = IO_floatValue(str(c),chunkPoss(:,c),i+1_pInt)
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end select
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enddo
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enddo
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enddo
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case('fraction')
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microstructure_fraction(constituent,m) = IO_floatValue(str(constituent),chunkPoss(:,constituent),i+1_pInt)
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end select
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enddo
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enddo
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enddo
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!sanity check
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do m = 1_pInt, material_Nmicrostructure
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if (dNeq(sum(microstructure_fraction(:,m)),1.0_pReal)) &
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call IO_error(153_pInt,ext_msg=microstructure_name(m))
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@ -929,49 +934,49 @@ subroutine material_parseTexture
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tag = IO_stringValue(line,chunkPos,j+1_pInt)
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select case (tag)
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case('x', '+x')
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texture_transformation(j,1:3,section) = [ 1.0_pReal, 0.0_pReal, 0.0_pReal] ! original axis is now +x-axis
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texture_transformation(j,1:3,t) = [ 1.0_pReal, 0.0_pReal, 0.0_pReal] ! original axis is now +x-axis
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case('-x')
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texture_transformation(j,1:3,section) = [-1.0_pReal, 0.0_pReal, 0.0_pReal] ! original axis is now -x-axis
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texture_transformation(j,1:3,t) = [-1.0_pReal, 0.0_pReal, 0.0_pReal] ! original axis is now -x-axis
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case('y', '+y')
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texture_transformation(j,1:3,section) = [ 0.0_pReal, 1.0_pReal, 0.0_pReal] ! original axis is now +y-axis
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texture_transformation(j,1:3,t) = [ 0.0_pReal, 1.0_pReal, 0.0_pReal] ! original axis is now +y-axis
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case('-y')
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texture_transformation(j,1:3,section) = [ 0.0_pReal,-1.0_pReal, 0.0_pReal] ! original axis is now -y-axis
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texture_transformation(j,1:3,t) = [ 0.0_pReal,-1.0_pReal, 0.0_pReal] ! original axis is now -y-axis
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case('z', '+z')
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texture_transformation(j,1:3,section) = [ 0.0_pReal, 0.0_pReal, 1.0_pReal] ! original axis is now +z-axis
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texture_transformation(j,1:3,t) = [ 0.0_pReal, 0.0_pReal, 1.0_pReal] ! original axis is now +z-axis
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case('-z')
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texture_transformation(j,1:3,section) = [ 0.0_pReal, 0.0_pReal,-1.0_pReal] ! original axis is now -z-axis
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texture_transformation(j,1:3,t) = [ 0.0_pReal, 0.0_pReal,-1.0_pReal] ! original axis is now -z-axis
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case default
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call IO_error(157_pInt,section)
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call IO_error(157_pInt,t)
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end select
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enddo
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if(dNeq(math_det33(texture_transformation(1:3,1:3,section)),1.0_pReal)) &
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call IO_error(157_pInt,section)
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if(dNeq(math_det33(texture_transformation(1:3,1:3,t)),1.0_pReal)) &
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call IO_error(157_pInt,t)
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case ('hybridia') textureType
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texture_ODFfile(section) = IO_stringValue(line,chunkPos,2_pInt)
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texture_ODFfile(t) = IO_stringValue(line,chunkPos,2_pInt)
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case ('symmetry') textureType
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tag = IO_stringValue(line,chunkPos,2_pInt)
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select case (tag)
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case('orthotropic')
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texture_symmetry(section) = 4_pInt
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texture_symmetry(t) = 4_pInt
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case('monoclinic')
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texture_symmetry(section) = 2_pInt
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texture_symmetry(t) = 2_pInt
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case default
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texture_symmetry(section) = 1_pInt
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texture_symmetry(t) = 1_pInt
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end select
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case ('(random)') textureType
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gauss = gauss + 1_pInt
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texture_Gauss(1:3,gauss,section) = math_sampleRandomOri()
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texture_Gauss(1:3,gauss,t) = math_sampleRandomOri()
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do j = 2_pInt,4_pInt,2_pInt
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tag = IO_stringValue(line,chunkPos,j)
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select case (tag)
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case('scatter')
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texture_Gauss(4,gauss,section) = IO_floatValue(line,chunkPos,j+1_pInt)*inRad
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texture_Gauss(4,gauss,t) = IO_floatValue(line,chunkPos,j+1_pInt)*inRad
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case('fraction')
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texture_Gauss(5,gauss,section) = IO_floatValue(line,chunkPos,j+1_pInt)
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texture_Gauss(5,gauss,t) = IO_floatValue(line,chunkPos,j+1_pInt)
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end select
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enddo
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@ -981,15 +986,15 @@ subroutine material_parseTexture
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tag = IO_stringValue(line,chunkPos,j)
|
||||
select case (tag)
|
||||
case('phi1')
|
||||
texture_Gauss(1,gauss,section) = IO_floatValue(line,chunkPos,j+1_pInt)*inRad
|
||||
texture_Gauss(1,gauss,t) = IO_floatValue(line,chunkPos,j+1_pInt)*inRad
|
||||
case('phi')
|
||||
texture_Gauss(2,gauss,section) = IO_floatValue(line,chunkPos,j+1_pInt)*inRad
|
||||
texture_Gauss(2,gauss,t) = IO_floatValue(line,chunkPos,j+1_pInt)*inRad
|
||||
case('phi2')
|
||||
texture_Gauss(3,gauss,section) = IO_floatValue(line,chunkPos,j+1_pInt)*inRad
|
||||
texture_Gauss(3,gauss,t) = IO_floatValue(line,chunkPos,j+1_pInt)*inRad
|
||||
case('scatter')
|
||||
texture_Gauss(4,gauss,section) = IO_floatValue(line,chunkPos,j+1_pInt)*inRad
|
||||
texture_Gauss(4,gauss,t) = IO_floatValue(line,chunkPos,j+1_pInt)*inRad
|
||||
case('fraction')
|
||||
texture_Gauss(5,gauss,section) = IO_floatValue(line,chunkPos,j+1_pInt)
|
||||
texture_Gauss(5,gauss,t) = IO_floatValue(line,chunkPos,j+1_pInt)
|
||||
end select
|
||||
enddo
|
||||
|
||||
|
|
@ -999,17 +1004,17 @@ subroutine material_parseTexture
|
|||
tag = IO_stringValue(line,chunkPos,j)
|
||||
select case (tag)
|
||||
case('alpha1')
|
||||
texture_Fiber(1,fiber,section) = IO_floatValue(line,chunkPos,j+1_pInt)*inRad
|
||||
texture_Fiber(1,fiber,t) = IO_floatValue(line,chunkPos,j+1_pInt)*inRad
|
||||
case('alpha2')
|
||||
texture_Fiber(2,fiber,section) = IO_floatValue(line,chunkPos,j+1_pInt)*inRad
|
||||
texture_Fiber(2,fiber,t) = IO_floatValue(line,chunkPos,j+1_pInt)*inRad
|
||||
case('beta1')
|
||||
texture_Fiber(3,fiber,section) = IO_floatValue(line,chunkPos,j+1_pInt)*inRad
|
||||
texture_Fiber(3,fiber,t) = IO_floatValue(line,chunkPos,j+1_pInt)*inRad
|
||||
case('beta2')
|
||||
texture_Fiber(4,fiber,section) = IO_floatValue(line,chunkPos,j+1_pInt)*inRad
|
||||
texture_Fiber(4,fiber,t) = IO_floatValue(line,chunkPos,j+1_pInt)*inRad
|
||||
case('scatter')
|
||||
texture_Fiber(5,fiber,section) = IO_floatValue(line,chunkPos,j+1_pInt)*inRad
|
||||
texture_Fiber(5,fiber,t) = IO_floatValue(line,chunkPos,j+1_pInt)*inRad
|
||||
case('fraction')
|
||||
texture_Fiber(6,fiber,section) = IO_floatValue(line,chunkPos,j+1_pInt)
|
||||
texture_Fiber(6,fiber,t) = IO_floatValue(line,chunkPos,j+1_pInt)
|
||||
end select
|
||||
enddo
|
||||
end select textureType
|
||||
|
|
@ -1132,10 +1137,8 @@ subroutine material_populateGrains
|
|||
allocate(orientationOfGrain(3,maxval(Ngrains)),source=0.0_pReal) ! reserve memory for maximum case
|
||||
|
||||
if (iand(myDebug,debug_levelBasic) /= 0_pInt) then
|
||||
!$OMP CRITICAL (write2out)
|
||||
write(6,'(/,a/)') ' MATERIAL grain population'
|
||||
write(6,'(a32,1x,a32,1x,a6)') 'homogenization_name','microstructure_name','grain#'
|
||||
!$OMP END CRITICAL (write2out)
|
||||
endif
|
||||
homogenizationLoop: do homog = 1_pInt,material_Nhomogenization
|
||||
dGrains = homogenization_Ngrains(homog) ! grain number per material point
|
||||
|
|
@ -1143,11 +1146,8 @@ subroutine material_populateGrains
|
|||
activePair: if (Ngrains(homog,micro) > 0_pInt) then
|
||||
myNgrains = Ngrains(homog,micro) ! assign short name for total number of grains to populate
|
||||
myNconstituents = microstructure_Nconstituents(micro) ! assign short name for number of constituents
|
||||
if (iand(myDebug,debug_levelBasic) /= 0_pInt) then
|
||||
!$OMP CRITICAL (write2out)
|
||||
write(6,'(/,a32,1x,a32,1x,i6)') homogenization_name(homog),microstructure_name(micro),myNgrains
|
||||
!$OMP END CRITICAL (write2out)
|
||||
endif
|
||||
if (iand(myDebug,debug_levelBasic) /= 0_pInt) &
|
||||
write(6,'(/,a32,1x,a32,1x,i6)') homogenization_name(homog),microstructure_name(micro),myNgrains
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
|
|||
Loading…
Reference in New Issue